Crystallography Open Database

Information card for entry 4113816

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Structure parameters

Formula	C66 H72 N6 O7 P Tb
Calculated formula	C66 H72 N6 O7 P Tb
SMILES	[Tb]123(Oc4n(nc(c4C(=[O]1)C(CC)CC)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)C(CC)CC)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)C(CC)CC)C)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Efficient Electroluminescence from a New Terbium Complex
Authors of publication	Hao Xin; Fu You Li; Mei Shi; Zu Qiang Bian; Chun Hui Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	7166 - 7167
a	11.4069 ± 0.0006 Å
b	21.2755 ± 0.0013 Å
c	13.3005 ± 0.0006 Å
α	90°
β	104.64 ± 0.002°
γ	90°
Cell volume	3123.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	0.698
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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